Geometry & MOs

Info

ID:	345050
PubChem CID:	127268810
Reduced:	ClSN3O4C17H18 (1)
Stoich.:	ABC3D4E17F18 (1)
Weight, g/mol:	246.140199
ΔH_f, kcal/mol:	-94.28
Dipole, Da:	6.59
IP(EA), eV:	-8.63(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-4-(2-methylpropylsulfonyl)piperazine

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC4=C3OCCO4

DOS

IR

Vibrations